3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile

C6H8N4O — CID 131154584

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(NCCC#N)o1
InChIInChI=1S/C6H8N4O/c1-5-9-10-6(11-5)8-4-2-3-7/h2,4H2,1H3,(H,8,10)
InChIKeyPOAQAJRQWWYCOT-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.70
Rot. Bonds3

About 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile

3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile (PubChem CID 131154584) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile
PubChem CID131154584
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(NCCC#N)o1
InChIInChI=1S/C6H8N4O/c1-5-9-10-6(11-5)8-4-2-3-7/h2,4H2,1H3,(H,8,10)
InChIKeyPOAQAJRQWWYCOT-UHFFFAOYSA-N
XLogP0.70
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 126997706
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]acetamide
CID 130618917
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130735988
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 72919531
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924783
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130702623
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile (CID 131154584) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile is Cc1nnc(NCCC#N)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile?
The InChIKey is POAQAJRQWWYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-5-9-10-6(11-5)8-4-2-3-7/h2,4H2,1H3,(H,8,10).
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile has a molecular weight of 152.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile is sourced from PubChem (CID 131154584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).